Predicted protein targets (top 16)
| gene | UniProt | supporting neighbours | confidence | |
|---|---|---|---|---|
| ▸ | ALDH1A1 | P00352 | 5/20 | 0.51 |
| ▸ | CHKA | P35790 | 1/20 | 0.50 |
| ▸ | AKR1C3 | P42330 | 5/20 | 0.49 |
| ▸ | HPGD | P15428 | 4/20 | 0.49 |
| ▸ | DRD2 | P14416 | 1/20 | 0.46 |
| ▸ | GAA | P10253 | 1/20 | 0.45 |
| ▸ | KDM4E | B2RXH2 | 1/20 | 0.44 |
| ▸ | CYP1A2 | P05177 | 1/20 | 0.42 |
| ▸ | CYP3A4 | P08684 | 1/20 | 0.42 |
| ▸ | CYP2D6 | P10635 | 1/20 | 0.42 |
| ▸ | CYP2C9 | P11712 | 1/20 | 0.42 |
| ▸ | CYP2C19 | P33261 | 1/20 | 0.42 |
| ▸ | NPC1 | O15118 | 1/20 | 0.42 |
| ▸ | RAB9A | P51151 | 1/20 | 0.42 |
| ▸ | BRD9 | Q9H8M2 | 1/20 | 0.42 |
| ▸ | USP2 | O75604 | 1/20 | 0.40 |
Click a target to see other patent compounds predicted against it — the reverse direction, in place.
Similar compounds — the chemically nearest patent molecules
Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.
| Compound | similarity | top predicted | shared targets | |
|---|---|---|---|---|
| SCHEMBL7696399 | 0.94 | ALDH1A1 (0.58) | ALDH1A1CHKAAKR1C3HPGDDRD2 | |
| Pyridine SCHEMBL28869905 | 0.86 | ALDH1A1 (0.50) | ALDH1A1AKR1C3HPGDGAACYP1A2 | |
| SCHEMBL31296338 | 0.84 | ALDH1A1 (0.56) | ALDH1A1AKR1C3HPGDGAAKDM4E | |
| SCHEMBL27409503 | 0.80 | ALDH1A1 (0.59) | ALDH1A1AKR1C3HPGDCYP1A2CYP3A4 | |
| SCHEMBL76559 | 0.80 | ALDH1A1 (0.59) | ALDH1A1AKR1C3HPGDCYP1A2CYP3A4 | |
| SCHEMBL11142367 | 0.79 | ALDH1A1 (0.74) | ALDH1A1AKR1C3HPGDCYP1A2CYP3A4 | |
| SCHEMBL31500101 | 0.79 | GAA (0.53) | ALDH1A1HPGDDRD2GAACYP1A2 | |
| SCHEMBL5606442 | 0.79 | GAA (0.53) | ALDH1A1HPGDDRD2GAACYP1A2 | |
| SCHEMBL14608049 | 0.79 | ALDH1A1 (0.46) | ALDH1A1AKR1C3HPGDGAAKDM4E | |
| SCHEMBL1626841 | 0.78 | ALDH1A1 (0.58) | ALDH1A1AKR1C3HPGDDRD2CYP1A2 |
Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.
Patent provenance — the patents this molecule appears in, and who filed them
Claimed or disclosed in 4 patents. claimed = in the patent's claims; disclosed = body only.
| Patent | Title | Assignee | Published | Priority | Filing | Country | Status |
|---|---|---|---|---|---|---|---|
| EP-0106988-A1 | Pharmacologically active lactam derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-05-02 | — | — | EP | claimed |
| WO-2016127358-A1 | INHIBITORS OF RENAL OUTER MEDULLARY POTASSIUM CHANNEL | MERCK SHARP & DOHME CORP. (US) | 2016-08-18 | — | — | WO | disclosed |
| EP-1473330-B1 | Process for the synthesis of oxonol compound | FUJI PHOTO FILM CO LTD (JP) | 2007-02-14 | — | — | EP | disclosed |
| EP-0106988-A1 | Pharmacologically active lactam derivatives | THE WELLCOME FOUNDATION LIMITED (GB) | 1984-05-02 | — | — | EP | disclosed |